| SpectraBase Compound ID | KlAKuyNItsu |
|---|---|
| InChI | InChI=1S/C12H8O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-8H |
| InChIKey | AINQQVKJUCUNJE-UHFFFAOYSA-N |
| Mol Weight | 200.19 g/mol |
| Molecular Formula | C12H8O3 |
| Exact Mass | 200.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JdaHl1a2aO5 |
|---|---|
| Name | 4-oxo-6-Phenyl-4H-pyran-2-carboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.047344115 u |
| Formula | C12H8O3 |
| InChI | InChI=1S/C12H8O3/c13-8-11-6-10(14)7-12(15-11)9-4-2-1-3-5-9/h1-8H |
| InChIKey | AINQQVKJUCUNJE-UHFFFAOYSA-N |
| Molecular Weight | 200.193 g/mol |
| SMILES | C=1C(=CC=CC1)C=1OC(=CC(C1)=O)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.976385 |